On the importance of atomic fluctuations, protein flexibility, and solvent in ion permeation
about
The predominant role of coordination number in potassium channel selectivityPredicting absolute ligand binding free energies to a simple model siteImportance of hydration and dynamics on the selectivity of the KcsA and NaK channelsTheoretical and simulation studies on voltage-gated sodium channelsStructure and electrostatic property of cytoplasmic domain of ZntB transporterMechanism of potassium-channel selectivity revealed by Na+ and Li+ binding sites within the KcsA poreMembrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory.Modeling and simulation of ion channels.cAMP Modulation of the cytoplasmic domain in the HCN2 channel investigated by molecular simulations.A computational study of barium blockades in the KcsA potassium channel based on multi-ion potential of mean force calculations and free energy perturbation.Role of protein flexibility in ion permeation: a case study in gramicidin A.Control of cation permeation through the nicotinic receptor channelA structural model of the pore-forming region of the skeletal muscle ryanodine receptor (RyR1)Pore dynamics and conductance of RyR1 transmembrane domain.Temperature dependence of lysozyme hydration and the role of elastic energy.Identification of electric-field-dependent steps in the Na(+),K(+)-pump cycle.A homology model of the pore region of HCN channels.Theoretical studies of the M2 transmembrane segment of the glycine receptor: models of the open pore structure and current-voltage characteristics.The influence of amino acid protonation states on molecular dynamics simulations of the bacterial porin OmpF.Ion conduction through the hERG potassium channel.Fe(2+) substrate transport through ferritin protein cage ion channels influences enzyme activity and biomineralization.Ion permeation through a narrow channel: using gramicidin to ascertain all-atom molecular dynamics potential of mean force methodology and biomolecular force fields.Molecular dynamics and brownian dynamics investigation of ion permeation and anesthetic halothane effects on a proton-gated ion channelOrigins of ion selectivity in potassium channels from the perspective of channel block.Ion selectivity in channels and transportersSequence-dependent gating of an ion channel by DNA hairpin molecules.On the selective ion binding hypothesis for potassium channelsK⁺-dependent selectivity and external Ca²⁺ block of Shab K⁺ channels.Conduction properties of KcsA measured using brownian dynamics with flexible carbonyl groups in the selectivity filter.Intrinsic electrostatic potential in the BK channel pore: role in determining single channel conductance and block.Functional role and affinity of inorganic cations in stabilizing the tetrameric structure of the KcsA K+ channelThree-dimensional stress field around a membrane protein: atomistic and coarse-grained simulation analysis of gramicidin A.Computational investigation of dynamical transitions in Trp-cage miniprotein powders.Long-pore electrostatics in inward-rectifier potassium channels.The selectivity of K+ ion channels: testing the hypothesesControl of ion selectivity in LeuT: two Na+ binding sites with two different mechanismsEngineering aspects of biological ion channels--from biosensors to computational models for permeation.Application of the Poisson-Nernst-Planck theory with space-dependent diffusion coefficients to KcsA.Non-equilibrium dynamics contribute to ion selectivity in the KcsA channel.Ion channels and ion selectivity.
P2860
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P2860
On the importance of atomic fluctuations, protein flexibility, and solvent in ion permeation
description
2004 nî lūn-bûn
@nan
2004年の論文
@ja
2004年学术文章
@wuu
2004年学术文章
@zh-cn
2004年学术文章
@zh-hans
2004年学术文章
@zh-my
2004年学术文章
@zh-sg
2004年學術文章
@yue
2004年學術文章
@zh
2004年學術文章
@zh-hant
name
On the importance of atomic fl ...... and solvent in ion permeation
@ast
On the importance of atomic fl ...... and solvent in ion permeation
@en
type
label
On the importance of atomic fl ...... and solvent in ion permeation
@ast
On the importance of atomic fl ...... and solvent in ion permeation
@en
prefLabel
On the importance of atomic fl ...... and solvent in ion permeation
@ast
On the importance of atomic fl ...... and solvent in ion permeation
@en
P2860
P356
P1476
On the importance of atomic fl ...... and solvent in ion permeation
@en
P2093
Benoit Roux
O S Andersen
P2860
P304
P356
10.1085/JGP.200409111
P50
P577
2004-12-01T00:00:00Z